N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine

C17H29NS — CID 64611527

IUPACN-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(CSCC(C)C)NCC)cc1
InChIInChI=1S/C17H29NS/c1-5-7-15-8-10-16(11-9-15)17(18-6-2)13-19-12-14(3)4/h8-11,14,17-18H,5-7,12-13H2,1-4H3
InChIKeyZVJZFUYXMPQRQE-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.68
Rot. Bonds9

About N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine

N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine (PubChem CID 64611527) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine
PubChem CID64611527
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC NameN-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(CSCC(C)C)NCC)cc1
InChIInChI=1S/C17H29NS/c1-5-7-15-8-10-16(11-9-15)17(18-6-2)13-19-12-14(3)4/h8-11,14,17-18H,5-7,12-13H2,1-4H3
InChIKeyZVJZFUYXMPQRQE-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66102568
N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 107763388
1-(4-butylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43491199
3-[2-(methylamino)-2-(4-propylphenyl)ethyl]sulfanylpropane-1,2-diol
CID 79670946
N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64626452
N-ethyl-2-phenyl-1-(4-propylphenyl)ethanamine
CID 43491649
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 106927283
N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine
CID 65128632
N-ethyl-1-(furan-2-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135418
N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine
CID 116544428
3-[2-(4-tert-butylphenyl)-2-(ethylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66105660
N-ethyl-2-ethylsulfanyl-1-phenylethanamine
CID 64613608

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine (CID 64611527) is N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(CSCC(C)C)NCC)cc1.
What is the InChIKey of N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine?
The InChIKey is ZVJZFUYXMPQRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-5-7-15-8-10-16(11-9-15)17(18-6-2)13-19-12-14(3)4/h8-11,14,17-18H,5-7,12-13H2,1-4H3.
What are the key properties of N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine?
N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine has a molecular weight of 279.49 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 64611527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).